Sugi Predict

Sugi Predict / Compounds / SCHEMBL497498

SCHEMBL497498

SCHEMBL497498

C[C@]12CC[C@H](O)C[C@@H]1C[C@@H](O)[C@@H]1[C@@H]2CC[C@]2(C)C(=O)[C@H](Br)C[C@@H]12

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ G6PD P11413 1/20 0.68
▸ NR3C1 P04150 1/20 0.53
▸ GPBAR1 Q8TDU6 11/20 0.50
▸ NR1H4 Q96RI1 6/20 0.49
▸ SHBG P04278 1/20 0.49
▸ MEN1 O00255 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ KMT2A Q03164 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL497499 1.00 G6PD (0.68) G6PDNR3C1GPBAR1NR1H4SHBG
SCHEMBL6700980 1.00 G6PD (0.68) G6PDNR3C1GPBAR1NR1H4SHBG
SCHEMBL7184760 1.00 G6PD (0.68) G6PDNR3C1GPBAR1NR1H4SHBG
SCHEMBL498315 1.00 G6PD (0.68) G6PDNR3C1GPBAR1NR1H4SHBG
SCHEMBL498095 1.00 G6PD (0.68) G6PDNR3C1GPBAR1NR1H4SHBG
16.Alpha.-Bromoepiandrosterone SCHEMBL7855438 0.92 G6PD (0.83) G6PDGPBAR1SHBGMEN1LMNA
SCHEMBL11970364 0.87 NR3C1 (0.55) G6PDNR3C1GPBAR1NR1H4MEN1
SCHEMBL11970369 0.87 NR3C1 (0.55) G6PDNR3C1GPBAR1NR1H4MEN1
SCHEMBL9938166 0.87 NR3C1 (0.55) G6PDNR3C1GPBAR1NR1H4MEN1
SCHEMBL10896415 0.86 NR3C1 (0.54) G6PDNR3C1GPBAR1NR1H4SHBG

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030060425-A1 Immune modulation method using steroid compounds BIOVIE INC. 2003-03-27 — — US claimed
EP-1163256-A1 HEMIHYDRATE OF 16.ALPHA.-BROMOEPIANDROSTERONE Hollis-Eden Pharmaceuticals Inc. (US) 2001-12-19 — — EP claimed
WO-2000056757-A1 IMMUNOMODULATORY STEROIDS, IN PARTICULAR THE HEMIHYDRATE OF 16.ALPHA.-BROMOEPIANDROSTERONE HOLLIS-EDEN PHARMACEUTICALS, INC. (US) 2000-09-28 — — WO claimed
US-8541600-B2 11-aza, 11-thia and 11-oxa sterol compounds and compositions Harbor Therapeutics, Inc. (US) 2013-09-24 — — US disclosed
US-20120101052-A9 15-THIA STEROID COMPOUNDS AND COMPOSITIONS BIOVIE INC. 2012-04-26 — — US disclosed
US-20120041016-A1 11-Aza, 11-Thia and 11-Oxa Sterol Compounds and Compositions BIOVIE INC. 2012-02-16 — — US disclosed
US-8106036-B2 Pharmaceutical compositions-4 HARBOR BIOSCIENCES, INC. (US) 2012-01-31 — — US disclosed
US-8022234-B2 Compounds and compositions HARBOR BIOSCIENCES, INC. (US) 2011-09-20 — — US disclosed
US-20110218162-A1 15-THIA STEROID COMPOUNDS AND COMPOSITIONS FRINCKE JAMES M 2011-09-08 — — US disclosed
US-7947846-B2 15-OXA-steroid compounds HARBOR BIOSCIENCES, INC. (US) 2011-05-24 — — US disclosed
US-20110009372-A1 Compounds and compositions BIOVIE INC. 2011-01-13 — — US disclosed
US-20040116359-A1 Pharmaceutical compositions and treatment methods BIOVIE INC. 2004-06-17 — — US disclosed
EP-1422234-A2 Immunomodulatory steroids, in particular the hemihydrate of 16.alpha.-bromoepiandrosterone Hollis-Eden Pharmaceuticals Inc. (US) 2004-05-26 — — EP disclosed
US-20040097406-A1 Pharmaceutical compositions and treatment methods - 4 BIOVIE INC. 2004-05-20 — — US disclosed
US-20040043973-A1 Pharmaceutical compositions and treatment methods BIOVIE INC. 2004-03-04 — — US disclosed
US-6667299-B1 16-alpha-bromo-3-beta-hydroxy-5-alpha-androstan-17-one hemihydrate; 16-alpha-bromoepiandrosterone; steroid; immune modulator HOLLIS-EDEN PHARMACEUTICALS, INC. 2003-12-23 — — US disclosed
US-20030083231-A1 Blood cell deficiency treatment method BIOVIE INC. 2003-05-01 — — US disclosed
US-20030060425-A1 Immune modulation method using steroid compounds BIOVIE INC. 2003-03-27 — — US disclosed
EP-1163256-A1 HEMIHYDRATE OF 16.ALPHA.-BROMOEPIANDROSTERONE Hollis-Eden Pharmaceuticals Inc. (US) 2001-12-19 — — EP disclosed
WO-2000056757-A1 IMMUNOMODULATORY STEROIDS, IN PARTICULAR THE HEMIHYDRATE OF 16.ALPHA.-BROMOEPIANDROSTERONE HOLLIS-EDEN PHARMACEUTICALS, INC. (US) 2000-09-28 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110009372-A1 Compounds and compositions HSD3B1, CYP17A1, HSD17B1 G6PD 646/4885NR3C1 20/4885GPBAR1 160/4885
US-20030060425-A1 Immune modulation method using steroid compounds HSD3B1, NR5A1, HSD17B1 G6PD 769/4885NR3C1 15/4885GPBAR1 205/4885
US-20030083231-A1 Blood cell deficiency treatment method THPO, HPGDS, MPL G6PD 13/4885NR3C1 43/4885GPBAR1 331/4885
US-20040097406-A1 Pharmaceutical compositions and treatment methods - 4 HSD3B1, IL4, HSD17B7 G6PD 526/4885NR3C1 22/4885GPBAR1 313/4885
US-20120101052-A9 15-THIA STEROID COMPOUNDS AND COMPOSITIONS MPL, THPO, ALOX15 G6PD 105/4885NR3C1 10/4885GPBAR1 360/4885
US-20120041016-A1 11-Aza, 11-Thia and 11-Oxa Sterol Compounds and Compositions CYP51A1, HSD11B1, HSD3B1 G6PD 1176/4885NR3C1 17/4885GPBAR1 246/4885
US-20110218162-A1 15-THIA STEROID COMPOUNDS AND COMPOSITIONS MPL, THPO, ALOX15 G6PD 105/4885NR3C1 10/4885GPBAR1 360/4885
US-20040043973-A1 Pharmaceutical compositions and treatment methods HSD17B1, HSD17B7, HSD17B3 G6PD 476/4885NR3C1 18/4885GPBAR1 199/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.